Figure 6
From: Unraveling the Planar-Globular Transition in Gold Nanoclusters through Evolutionary Search
s-d band hybridization index, Hsd, defined as (a) the common area under s and d shell decomposed electronic density of states and (b) the product of s and d weights of local charges for different sized Au clusters in 2D and 3D constructions. Spin-orbit coupling (soc) is also considered in the case of Au12–14 clusters. (c) The atomic structures of the evaluated particles.
